LNS-8801

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H18BrNO3
Molecular Weight	412.277
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC=C[C@@]1([H])C3=CC(=CC=C3N[C@H]2C4=C(Br)C=C5OCOC5=C4)C(C)=O

InChI

InChIKey=VHSVKVWHYFBIFJ-HKZYLEAXSA-N

InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H18BrNO3
Molecular Weight	412.277
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
G-protein coupled estrogen receptor 1 3 Target ID: Q99527\|\|\|Q99981 Gene ID: 2852.0 Gene Symbol: GPER1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/19664827	Agonist 2678		11.0 nM [Ki]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:13:36 GMT 2023` Edited by `admin` on `Sat Dec 16 15:13:36 GMT 2023`
Record UNII	TFS4QE36ZG
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

LNS-8801

Code

English

LNS8801

Code

English

ETHANONE, 1-((3AS,4R,9BR)-4-(6-BROMO-1,3-BENZODIOXOL-5-YL)-3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA(C)QUINOLIN-8-YL)-

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

801620